9BZ1

Cocrystal structure of Clostridium beijerinckii ZTP riboswitch with AICA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	C 1 2 1
Unit cell lengths	115.069, 47.642, 113.791
Unit cell angles	90.00, 120.42, 90.00

Refinement procedure

Resolution	49.060 - 2.800
R-factor	0.2125
Rwork	0.209
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.073
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.060	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	25466	2445
<I/σ(I)>	6.7
Completeness [%]	99.0
Redundancy	3.5
CC(1/2)	0.996	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		294